/*
 * @BEGIN LICENSE
 *
 * Psi4: an open-source quantum chemistry software package
 *
 * Copyright (c) 2007-2025 The Psi4 Developers.
 *
 * The copyrights for code used from other parties are included in
 * the corresponding files.
 *
 * This file is part of Psi4.
 *
 * Psi4 is free software; you can redistribute it and/or modify
 * it under the terms of the GNU Lesser General Public License as published by
 * the Free Software Foundation, version 3.
 *
 * Psi4 is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License along
 * with Psi4; if not, write to the Free Software Foundation, Inc.,
 * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
 *
 * @END LICENSE
 */

#ifndef dispersion_defines_h
#define dispersion_defines_h

// All values in atomic units
// For C6, this means hartree * bohr^6 (if original values in J nm^6 mol^-1, mult by 17.34525495)
// For C8, this means hartree * bohr^8 (if original values in J nm^8 mol^-1, mult by 6194.102092)

// Atom Order: Gh, H, He, ...
// For -DAS2010, last 6 values for C6, C8, and Beta are for hydrogen pairs
// ***Depends on closest covelently-bonded atom to hydrogen

namespace psi {
// clang-format off
const double RvdW_D1_[] = 
{
    2.30546570658000,
    2.09759584779000,
    2.12102845005360,
    1.72909927993500,
    2.95099610442240,
    3.11237870388300,
    3.04245884229000,
    2.92907528295000,
    2.81569172361000,
    2.70230816427000,
    2.60782186482000,
    2.39768433484320,
    2.85877747615920,
    3.43514390280420,
    3.59652650226480,
    3.57347184519900,
    3.52736253106740,
    3.43514390280420,
    3.34292527454100,
    3.11237870388300,
    3.08932404681720,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.27376130334360,
    3.45819855987000,
    3.61958115933060,
    3.68874513052800,
    3.71179978759380,
    3.66569047346220,
    3.61958115933060,
    3.41208924573840,
    3.36597993160680,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.43514390280420,
    3.50430787400160,
    3.78096375879120,
    3.94234635825180,
    3.96540101531760,
    3.96540101531760,
    3.94234635825180,
};
const double C6_D1_[] = 
{
    0.0000000000000000E+00,
    2.7752404318197200E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.8619666953140900E+01,
    1.9253230495749300E+01,
    1.2141676889211300E+01,
    9.8867940383577600E+00,
    7.8053637144929700E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00
};

// equivalent array from DFTD3
// RvdW_D2_ = r0 * 1.1 / bohr2ang
//
// 3009 c the published radii in S.Grimme, J.Comput.Chem. 27, (2006), 1787-1799 (tab 1)
// 3010 c refer to the following values multiplied by 1.1 (rs6 in this code)
// 3011 c H, He
// 3012          r0(1:86) = (/ 0.91d0,0.92d0,
// 3013 c Li-Ne
// 3014      .      0.75d0,1.28d0,1.35d0,1.32d0,1.27d0,1.22d0,1.17d0,1.13d0,

const double RvdW_D2_[] = 
{
    2.07869858790000,
    1.89161571498900,
    1.91240270086800,
    1.55902394092500,
    2.66073419251200,
    2.80624309366500,
    2.74388213602800,
    2.63994720663300,
    2.53601227723800,
    2.43207734784300,
    2.34892940432700,
    2.16184653141600,
    2.57758624899600,
    3.09726089597100,
    3.24276979712400,
    3.22198281124500,
    3.18040883948700,
    3.09726089597100,
    3.01411295245500,
    2.80624309366500,
    2.78545610778600,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    2.95175199481800,
    3.11804788185000,
    3.26355678300300,
    3.32591774064000,
    3.34670472651900,
    3.30513075476100,
    3.26355678300300,
    3.07647391009200,
    3.03489993833400,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.09726089597100,
    3.15962185360800,
    3.40906568415600,
    3.55457458530900,
    3.57536157118800,
    3.57536157118800,
    3.55457458530900
};
const double C6_D2_[] =
{
    0.0000000000000000E+00,
    2.4283353778422600E+00,
    1.3876202159098600E+00,
    2.7925856845186000E+01,
    2.7925856845186000E+01,
    5.4290640947473300E+01,
    3.0354192223028200E+01,
    2.1334660819614100E+01,
    1.2141676889211300E+01,
    1.3008939524155000E+01,
    1.0927509200290200E+01,
    9.9041392910566400E+01,
    9.9041392910566400E+01,
    1.8715527662084300E+02,
    1.6009668241060000E+02,
    1.3598678115916600E+02,
    9.6613057532724100E+01,
    8.7940431183287500E+01,
    7.9961614941805800E+01,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    1.8732872914783100E+02,
    2.9469584335385700E+02,
    2.9660382115073300E+02,
    2.8394178668055500E+02,
    2.1924399411375800E+02,
    2.1629530115495000E+02,
    2.0831648491346800E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    4.2790738408120400E+02,
    6.4732483072195000E+02,
    6.7143473197338400E+02,
    6.6675151374468900E+02,
    5.5053832066223800E+02,
    5.4637546001450800E+02,
    5.2018412843920900E+02
};
const double R_cov_[] = {
    1.8897259890000000,
    0.6047123164800000,
    0.8692739549400000,
    2.2676711868000000,
    1.7763424296600000,
    1.4550890115300000,
    1.4172944917500000,
    1.3417054521900000,
    1.1905273730700000,
    1.2094246329600000,
    1.2661164126300000,
    2.6456163846000000,
    2.3621574862500000,
    2.1353903675700000,
    1.9653150285600000,
    2.0786985879000000,
    1.9275205087800000,
    1.8708287291100000,
    1.8141369494400000,
    3.3259177406400000,
    2.9101780230600000,
    2.5133355653700000,
    2.3054657065800000,
    2.2865684466900000,
    2.0786985879000000,
    2.0220068082300000,
    1.9653150285600000,
    1.8897259890000000,
    1.8708287291100000,
    1.9086232488900000,
    2.0598013280100000,
    2.1164931076800000,
    2.0598013280100000,
    2.1731848873500000,
    2.0786985879000000,
    2.1542876274600000,
    2.2109794071300000,
    3.5715821192100000,
    3.1558424016300000,
    2.7778972038300000,
    2.6267191247100000,
    2.4944383054800000,
    2.3432602263600000,
    2.1731848873500000,
    2.1353903675700000,
    2.1353903675700000,
    2.0409040681200000,
    2.1731848873500000,
    2.3243629664700000,
    2.4188492659200000,
    2.3810547461400000,
    2.3810547461400000,
    2.3243629664700000,
    2.4944383054800000,
    2.4755410455900000,
    3.9495273170100000,
    3.3259177406400000,
    3.0613561021800000,
    2.7778972038300000,
    2.9857670626200000,
    2.9668698027300000,
    2.9479725428400000,
    2.9290752829500000,
    2.8534862433900000,
    2.8723835032800000,
    2.8534862433900000,
    2.8345889835000000,
    2.8156917236100000,
    2.8156917236100000,
    2.7967944637200000,
    2.8912807631700000,
    2.7589999439400000,
    2.5889246049300000,
    2.4755410455900000,
    2.3243629664700000,
    2.2298766670200000,
    2.1920821472400000,
    2.0975958477900000,
    2.1164931076800000,
    2.1353903675700000,
    2.4944383054800000,
    2.4566437857000000,
    2.4566437857000000,
    2.5700273450400000,
    2.4755410455900000,
    2.6078218648200000,
    2.6834109043800000,
    3.7983492378900000,
    3.4204040400900000,
    3.1558424016300000,
    2.9857670626200000,
    2.8723835032800000,
    2.8912807631700000,
    2.9101780230600000,
    2.9290752829500000
};
const double C6_Das2009_[] =
{
    0.0000000000000000E+00,
    2.9937910040000000E+00,
    1.4431252120000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.9948777720000000E+01,
    1.7203023860000000E+01,
    1.1210238270000000E+01,
    7.1271652590000000E+00,
    5.4793660390000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.0152351170000000E+02,
    9.0724356020000000E+01,
    5.3338393500000000E+01,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00
};
const double C8_Das2009_[] =
{
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.2918177740000000E+01,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.5516225740000000E+03,
    1.5621525480000000E+03,
    1.3763294850000000E+03,
    3.6483261320000000E+02,
    1.6847957690000000E+02,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.4351492960000000E+04,
    6.9454466760000000E+03,
    3.8998066770000000E+03,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00
};
const double Beta_Das2009_[] =
{
    0.0000000000000000E+00,
    2.8580000000000000E+00,
    1.8336000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.1128000000000000E+00,
    1.7952000000000000E+00,
    1.7221000000000000E+00,
    1.2906000000000000E+00,
    1.8120000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.6678000000000000E+00,
    1.7074000000000000E+00,
    1.2277000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00
};
const double A_Das2009_[] =
{
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.3844896562000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.6056369167000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.6791323813000000E+00,
    1.8358084730000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.0516389670000000E+01,
    6.7744354630000000E+00,
    2.2513920030000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00
};
const double C6_Das2010_[] =
{
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.1343796700000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.6520894820000000E+01,
    1.8226393900000000E+01,
    1.4630722550000000E+01,
    9.0230016200000000E+00,
    4.0848075400000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.3906211250000000E+02,
    8.5711577340000000E+01,
    5.1196254510000000E+01,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.3962930200000000E+00,  // H-C
    3.2106066900000000E+00,  // H-N
    2.7787098400000000E+00,  // H-O
    1.6651444800000000E+00,  // H-F
    3.0180743600000000E+00,  // H-S
    4.0501170300000000E+00   // H-Cl
};
const double C8_Das2010_[] =
{
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    3.2828741090000000E+01,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.0214074350000000E+03,
    7.9532270860000000E+02,
    1.3007614390000000E+02,
    6.8630651180000000E+02,
    2.1865180390000000E+02,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.3038584900000000E+03,
    6.3532905180000000E+03,
    4.2008400390000000E+03,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    8.7956249710000000E+01,  // H-C
    1.6104665440000000E+01,  // H-N
    1.6724075650000000E+01,  // H-O
    0.0000000000000000E+00,  // H-F
    3.5430263966000000E+02,  // H-S
    1.8582306300000000E+00   // H-Cl
};
const double Beta_Das2010_[] =
{
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.3164000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.9509000000000000E+00,
    2.2992000000000000E+00,
    2.4256000000000000E+00,
    1.9457000000000000E+00,
    2.1363000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    2.7729000000000000E+00,
    1.5878000000000000E+00,
    1.8374000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    0.0000000000000000E+00,
    1.4632000000000000E+00,  // H-C
    1.7192000000000000E+00,  // H-N
    1.7726000000000000E+00,  // H-O
    2.1695000000000000E+00,  // H-F
    1.3654000000000000E+00,  // H-S
    2.0669000000000000E+00,  // H-Cl
};
double R_0_AB_[] = {
    1.8897259890000000,
    4.1239490257947000,
    3.5048747917983000,
    3.2781076731183000,
    5.4964570116054000,
    4.8626429148948000,
    6.6057261671484000,
    4.4503047040950000,
    4.7422673693955000,
    5.6317613924178000,
    5.8547490591198000,
    4.7509601089449000,
    4.5196576478913000,
    5.6648315972253000,
    5.5716681059676000,
    6.0773587806240000,
    4.6283168922588000,
    4.2569857354203000,
    6.0344620006737000,
    5.7096181031646000,
    5.5805498181159000,
    5.4996695457867000,
    4.4724144981663000,
    4.0304075893392000,
    5.4393872867376000,
    5.2269820855740000,
    5.2489029070464000,
    5.1141654440307000,
    4.9558064061525000,
    4.1135555328552000,
    3.8975598523125000,
    4.9879317479655000,
    5.0357418154872000,
    5.0043723640698000,
    4.8560288739333000,
    4.6952131922694000,
    4.6897329869013000,
    3.9015282768894000,
    3.7588539647199000,
    4.7405666160054000,
    5.0848746912012000,
    4.9573181869437000,
    4.6808512747530000,
    4.5136105247265000,
    4.4429347727379000,
    4.3456138843044000,
    3.7590429373188000,
    3.6379115014239000,
    4.5712471673910000,
    4.8136990117797000,
    4.7231811369066000,
    4.5525388800999000,
    4.3796289521064000,
    4.2653005297719000,
    4.1471926554594000,
    4.0391003288886000,
    5.6499027619122000,
    4.9883096931633000,
    6.8088717109659000,
    5.8995355650591000,
    7.1091491706180000,
    6.1387748752665000,
    5.5476685859073000,
    5.1198346219977000,
    4.8719025722409000,
    4.6938903840771000,
    7.0074819124098000,
    4.7486924377581000,
    5.1629203745469000,
    5.8679771410428000,
    6.2289148049418000,
    5.9207004961359000,
    6.0471231648000000,
    5.5909433110554000,
    5.8245134432958000,
    5.4012148217598000,
    5.1249368821680000,
    6.1548375461730000,
    6.5836163730771000,
    5.4359857799574000,
    5.1829514700303000,
    6.1937659015464000,
    6.1157202182007000,
    6.7895965058781000,
    6.2032145314914000,
    5.8413320045979000,
    5.5499362570941000,
    5.4858745460670000,
    5.2513595508321000,
    6.4101395272869000,
    6.4193991846330000,
    7.5789350514834000,
    5.4582845466276000,
    5.0276159937345000,
    7.0889291025357000,
    5.9739907690257000,
    6.3504241860345000,
    6.2975118583425000,
    5.8564498125099000,
    5.5363302299733000,
    5.4186003008586000,
    5.2101635242719000,
    7.2053362234581000,
    6.2863624750074000,
    7.0118282821845000,
    7.1652740324913000,
    5.3486804392656000,
    4.8259822307082000,
    6.4122182258748000,
    5.8946222774877000,
    6.0218008365474000,
    5.9044488526305000,
    5.7570502254885000,
    5.4286158486003000,
    5.2277379759696000,
    5.0882761979814000,
    6.5399637027312000,
    6.2330722021176000,
    6.6408750705438000,
    6.6930315078402000,
    6.6172534956813000,
    4.9491923651910000,
    4.6859535349233000,
    5.9207004961359000,
    5.7712231704060000,
    5.7921991288839000,
    5.6463122825331000,
    5.4904098884406000,
    5.4433557113145000,
    5.1646211279370000,
    4.9758375016359000,
    6.0652645342944000,
    6.7402746575652000,
    6.3653530213476000,
    6.3657309665454000,
    6.2701108315020000,
    6.2563158317823000,
    4.6783946309673000,
    4.5389328529791000,
    5.6293047486321000,
    5.9465897421852000,
    5.6253363240552000,
    5.4514815330672000,
    5.2821620844528000,
    5.1886206479973000,
    5.0797724310309000,
    4.8618870244992000,
    5.7776482387686000,
    6.2859845298096000,
    6.3422983642818000,
    6.1470896696181000,
    6.0312494664924000,
    5.9569832351247000,
    5.8668433054494000,
    4.4833749089025000,
    4.4009828557821000,
    5.4348519443640000,
    5.6321393376156000,
    5.4977798197977000,
    5.2987916731560000,
    5.1156772248219000,
    4.9862309945754000,
    4.8603752437080000,
    4.7505821637471000,
    5.5779042017313000,
    5.9726679608334000,
    6.0631858357065000,
    5.9889196043388000,
    5.8547490591198000,
    5.7356963218128000,
    5.6181553652970000,
    5.5081733127372000,
    6.0749021368383000,
    5.3507591378535000,
    7.3177749198036000,
    6.5424203465169000,
    7.3364832070947000,
    6.3797149388640000,
    5.8101515257794000,
    5.4456233825013000,
    5.2065730448928000,
    5.0276159937345000,
    7.5097710802860000,
    6.8392962993888000,
    6.9105389691741000,
    7.4806693000554000,
    6.8385404089932000,
    6.4093836368913000,
    6.1376410396731000,
    5.9401646738226000,
    8.0145168919479000,
    5.2150768118433000,
    5.7802938551532000,
    6.3256687755786000,
    6.8434536965646000,
    6.4917756900117000,
    6.5628293871981000,
    6.1391528204643000,
    6.2738902834800000,
    5.8418989223946000,
    5.5563613254567000,
    6.6087497287308000,
    7.1796359500077000,
    6.9490893793497000,
    7.3090821802542000,
    6.7667308214112000,
    7.2268790997327000,
    6.7701323281914000,
    6.4545480880284000,
    7.3255227963585000,
    7.7544905958615000,
    5.1704792785029000,
    5.6247694062585000,
    6.1368851492775000,
    6.6147968518956000,
    6.4600282933965000,
    6.4965000049842000,
    6.0629968631076000,
    6.1958446001343000,
    5.7833174167356000,
    5.5155432440943000,
    6.4320603487593000,
    6.9464437629651000,
    6.9137515033554000,
    7.2427527980403000,
    6.6843387682908000,
    7.1176529375685000,
    6.6726224671590000,
    6.3683765829300000,
    7.1408965672332000,
    7.5218653266156000,
    7.3516010150067000,
    5.0705127736848000,
    5.4915437240340000,
    6.1629633679257000,
    6.4929095256051000,
    6.3377630219082000,
    6.3986121987540000,
    5.9620854952950000,
    6.1038149444700000,
    5.6943113226537000,
    5.4303166019904000,
    6.4296037049736000,
    6.8298476694438000,
    6.7990451358231000,
    6.6697878781755000,
    6.5826715100826000,
    7.0184423231460000,
    6.5728449349398000,
    6.2682211055130000,
    7.0740002672226000,
    7.4876612862147000,
    7.2151627986009000,
    7.1133065677938000,
    4.9849081863831000,
    5.3845852330566000,
    6.0168875489760000,
    6.4675871973525000,
    6.1928210385519000,
    6.3118737758589000,
    5.8717565930208000,
    6.0253913159265000,
    5.6151318037146000,
    5.3515150282491000,
    6.2956221323535000,
    6.7990451358231000,
    6.6624179468184000,
    6.6102615095220000,
    6.4961220597864000,
    6.9379399960146000,
    6.4904528818194000,
    6.1837503538047000,
    6.9653410228551000,
    7.3670967681165000,
    7.1654630050902000,
    7.0622839660908000,
    7.0318593776679000,
    5.5236690658470000,
    4.9554284609547000,
    6.4554929510229000,
    5.4800163955011000,
    5.7744357045873000,
    6.2942993241612000,
    5.7740577593895000,
    5.3872308494412000,
    5.1750146208765000,
    5.0342300346960000,
    6.6637407550107000,
    5.7215233768953000,
    6.2342060377110000,
    7.1282354031069000,
    6.6172534956813000,
    6.1890415865739000,
    5.9276924822952000,
    5.7513810475215000,
    7.1569592381397000,
    6.2092616546562000,
    6.0735793286460000,
    5.9955336453003000,
    6.0807602874042000,
    6.5033030185446000,
    4.8169115459610000,
    5.2199900994147000,
    5.8564498125099000,
    6.2837168586228000,
    6.0161316585804000,
    6.1280034371292000,
    5.7181218701151000,
    5.9006694006525000,
    5.4862524912648000,
    5.2196121542169000,
    6.1397197382610000,
    6.6348279473790000,
    6.5061376075281000,
    6.3957776097705000,
    6.3445660354686000,
    6.8115173273505000,
    6.3604397337762000,
    6.0495798085857000,
    6.8238005462790000,
    7.2265011545349000,
    7.0089936932010000,
    6.8967439694544000,
    6.8659414358337000,
    5.8384974156144000,
    6.7013463021918000,
    4.7103310001814000,
    5.1279604437504000,
    5.8001359780377000,
    6.1792150114311000,
    5.9095511128008000,
    6.0269030967177000,
    5.6045493381762000,
    5.8528593331308000,
    5.4382534511442000,
    5.1699123607062000,
    6.0860515201734000,
    6.5320268535774000,
    6.4054152123144000,
    6.2846617216173000,
    6.2258912433594000,
    6.7449989725377000,
    6.2950552145568000,
    5.9847622071630000,
    6.7661639036145000,
    7.1263456771179000,
    6.9043028734104000,
    6.7892185606803000,
    6.7604947256475000,
    5.7468457051479000,
    6.5923091126265000,
    6.5046258267369000,
    4.6613870970663000,
    5.0472691440201000,
    5.7778372113675000,
    6.1145863826073000,
    5.8407650868012000,
    5.9596288515093000,
    5.5246139288415000,
    5.7956006356641000,
    5.3811837262764000,
    5.1124646906406000,
    6.0592174111296000,
    6.5231451414291000,
    6.3481565148477000,
    6.2211669283869000,
    6.1561603543653000,
    6.0775477532229000,
    6.2326942569198000,
    5.9222122769271000,
    6.7285583564334000,
    7.1019682118598000,
    6.8846497231248000,
    6.7714551363837000,
    6.7446210273399000,
    5.6996025554229000,
    6.5785141129068000,
    6.4891300736271000,
    6.4868624024403000,
    4.6326632620335000,
    4.9771603098282000,
    5.7657429650379000,
    6.0903978899481000,
    5.7882307043070000,
    5.9082283046085000,
    5.4630088616001000,
    5.7169880345217000,
    5.3260037273976000,
    5.0576626369596000,
    6.0410760416352000,
    6.4466112388746000,
    6.3290702823588000,
    6.1777032306399000,
    6.1075943964480000,
    6.0066830286354000,
    6.1756245320520000,
    5.8649535794604000,
    6.6996455488017000,
    7.0409300624151000,
    6.8200210943010000,
    6.7034250007797000,
    6.6758350013403000,
    5.6725794737802000,
    6.5031140459457000,
    6.4074939109023000,
    6.3481565148477000,
    6.3234011043918000,
    4.6133880569457000,
    4.9144214069934000,
    5.7712231704060000,
    6.0446665210143000,
    5.7617745404610000,
    5.8691109766362000,
    5.4127421502927000,
    5.6593513918572000,
    5.2738472901012000,
    5.0060731174599000,
    6.0376745348550000,
    6.4103284998858000,
    6.2958111049524000,
    6.1576721351565000,
    6.0728234382504000,
    5.9556604269324000,
    6.1159091907996000,
    5.8112853613728000,
    6.6835828778952000,
    7.0140959533713000,
    6.7918641770649000,
    6.6731893849557000,
    6.6450324677196000,
    5.6619970082418000,
    6.4675871973525000,
    6.3681876103311000,
    6.3060156252930000,
    6.2803153518426000,
    6.2376075444912000,
    4.5954356600502000,
    4.8620759970981000,
    5.7477905681424000,
    5.9789040565971000,
    5.7062165963844000,
    5.8284818678727000,
    5.3692784525457000,
    5.1846522234204000,
    5.2171555104312000,
    4.9644991457019000,
    6.0114073436079000,
    6.3477785696499000,
    6.2445995306505000,
    6.1130746018161000,
    6.0361627540638000,
    5.9131415921799000,
    6.0680991232779000,
    5.7700893348126000,
    6.6497567826921000,
    6.9558923929101000,
    6.7340385618015000,
    6.6142299340989000,
    6.5864509620606000,
    5.6421548853573000,
    6.4056041849133000,
    6.3046928171007000,
    6.2411980238703000,
    6.2153087778210000,
    6.1709002170795000,
    6.1055156978601000,
    5.3860970138478000,
    5.0897879787726000,
    6.1353733684863000,
    6.0321943294869000,
    6.7393297945707000,
    6.1493573408049000,
    5.7770813209719000,
    5.4892760528472000,
    5.4153877666773000,
    5.1850301686182000,
    6.3394637752983000,
    6.3324717891390000,
    7.5281014223793000,
    6.9676086940419000,
    6.5879627428518000,
    6.3096061046721000,
    6.1251688481457000,
    5.9919431659212000,
    6.8211549298944000,
    6.8559258880920000,
    6.9655299954540000,
    6.7213773976752000,
    6.5830494552804000,
    6.2111513806452000,
    6.4239345270066000,
    6.3260467207764000,
    6.2682211055130000,
    6.2266471337550000,
    6.2122852162386000,
    6.1616405597334000,
    7.4793464918631000,
    5.5229131754514000,
    5.0716466092782000,
    7.1558254025463000,
    5.9964785082948000,
    6.4008798699408000,
    6.3576051447927000,
    5.9086062498063000,
    5.5824395441049000,
    5.3866639316445000,
    5.2498477700409000,
    7.2707207426775000,
    6.2995905569304000,
    7.0598273223051000,
    7.2312254695074000,
    6.7525578764937000,
    6.4173204860451000,
    6.1935769289475000,
    6.0310604938935000,
    7.5358492989342000,
    7.3351603989024000,
    6.7671087666090000,
    6.6828269874996000,
    6.6253793174340000,
    7.1992891002933000,
    6.4108954176825000,
    6.3018582281172000,
    6.2396862430791000,
    6.1975453535244000,
    6.1722230252718000,
    6.1348064506896000,
    7.0176864327504000,
    7.2979327969191000,
    5.5066615319460000,
    4.9644991457019000,
    6.5707662363519000,
    6.0044153574486000,
    6.1529478201840000,
    6.0414539868330000,
    5.8972678938723000,
    5.5569282432534000,
    5.3520819460458000,
    5.2101635242719000,
    6.7000234939995000,
    6.3332276795346000,
    6.7722110267793000,
    6.8364617104053000,
    6.7682426022024000,
    6.4065490479078000,
    6.1612626145356000,
    5.9813607003828000,
    6.9989781454593000,
    6.8564928058887000,
    6.7761794513562000,
    6.6764019191370000,
    6.5921201400276000,
    6.7631403420321000,
    6.4428317868966000,
    6.3254798029797000,
    6.2583945303702000,
    6.2126631614364000,
    6.1807267922223000,
    6.1455778888269000,
    6.7217553428730000,
    6.8967439694544000,
    6.9211214347125000,
    5.1589519499700000,
    4.8887211335430000,
    6.1361292588819000,
    5.9501802215643000,
    5.9841952893663000,
    5.8418989223946000,
    5.6893980350823000,
    5.6336511184068000,
    5.3479245488700000,
    5.1559283883876000,
    6.2850396668151000,
    6.2704887766998000,
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};
// clang-format on
}
#endif
